SCHEMBL23945317

SCHEMBL23945317

CC(C)CN1CC2(CCN(C(=O)C(C)(C)C)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.56
TSHR P16473 5/20 0.53
USP2 O75604 9/20 0.52
CYP1A2 P05177 6/20 0.52
CYP2C9 P11712 5/20 0.52
HIF1A Q16665 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 10/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18701847 0.82 EPHX2 (0.40) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL29088302 0.82 TSHR (0.60) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL22794820 0.82 PIK3CD (0.62) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL23696325 0.81 CYP2D6 (0.58) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL24926106 0.80 PIK3CD (0.63) CYP2D6TSHRCYP2C9CYP3A4MEN1
SCHEMBL25928035 0.79 CYP2D6 (0.57) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL25904088 0.78 EPHX2 (0.38) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL23945973 0.77 CYP2D6 (0.54) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL22848880 0.77 CYP2D6 (0.54) CYP2D6TSHRUSP2CYP1A2CYP2C9
SCHEMBL21787313 0.77 CYP2D6 (0.54) CYP2D6TSHRUSP2CYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885TSHR 3319/4885USP2 141/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885TSHR 3319/4885USP2 141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.